(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C23H27ClN6O2 — CID 90413463

IUPAC(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H27ClN6O2/c24-18-12-26-21(29-23(31)16-2-1-7-25-11-16)10-17(18)19-3-4-20-22(28-19)30(14-27-20)13-15-5-8-32-9-6-15/h3-4,10,12,14-16,25H,1-2,5-9,11,13H2,(H,26,29,31)/t16-/m1/s1
InChIKeyVBEBKZHVOHSYBT-MRXNPFEDSA-N
MW454.96 g/mol
LogP3.51
Rot. Bonds5

About (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413463) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413463
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C23H27ClN6O2/c24-18-12-26-21(29-23(31)16-2-1-7-25-11-16)10-17(18)19-3-4-20-22(28-19)30(14-27-20)13-15-5-8-32-9-6-15/h3-4,10,12,14-16,25H,1-2,5-9,11,13H2,(H,26,29,31)/t16-/m1/s1
InChIKeyVBEBKZHVOHSYBT-MRXNPFEDSA-N
XLogP3.51
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413463) is (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3ncn(CC4CCOCC4)c3n2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is VBEBKZHVOHSYBT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c24-18-12-26-21(29-23(31)16-2-1-7-25-11-16)10-17(18)19-3-4-20-22(28-19)30(14-27-20)13-15-5-8-32-9-6-15/h3-4,10,12,14-16,25H,1-2,5-9,11,13H2,(H,26,29,31)/t16-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).